SCHEMBL2186156

SCHEMBL2186156

O=C(c1csc(C2CCN(c3ccc4c(c3)OCO4)CC2)n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.54
MAPT P10636 6/20 0.54
MAPK1 P28482 4/20 0.54
HTT P42858 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TSHR P16473 6/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
HSD17B10 Q99714 2/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 3/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 2/20 0.45
SCD5 Q86SK9 3/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
USP2 O75604 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27698610 0.95 LMNA (0.48) LMNAMAPTMAPK1HTTSMN1; SMN2
SCHEMBL2185672 0.89 LMNA (0.53) LMNAMAPTMAPK1HTTSMN1; SMN2
SCHEMBL2186962 0.88 LMNA (0.56) LMNAMAPTMAPK1HTTSMN1; SMN2
SCHEMBL2188593 0.87 SCD5 (0.43) LMNAMAPTMAPK1HTTSMN1; SMN2
SCHEMBL2187717 0.85 LMNA (0.53) LMNAMAPTMAPK1HTTSMN1; SMN2
SCHEMBL2186921 0.85 MAPT (0.62) LMNAMAPTMAPK1HTTSMN1; SMN2
SCHEMBL2186435 0.84 LMNA (0.49) LMNAMAPTMAPK1HTTSMN1; SMN2
SCHEMBL2186627 0.84 LMNA (0.49) LMNAMAPTMAPK1HTTSMN1; SMN2
SCHEMBL2186519 0.84 LMNA (0.50) LMNAMAPTMAPK1HTTSMN1; SMN2
SCHEMBL2192333 0.84 LMNA (0.53) LMNAMAPTMAPK1HTTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2343293-A1 NOVEL PIPERIDIN-4-YL-THIAZOLE-CARBOXAMIDE ANALOGUES AS INHIBITORS OF T-CELL PROLIFERATION AND USES THEREOF 4SC AG (DE) 2011-07-13 EP disclosed